5-chloro-N-[(1,4-dimethylpiperazin-2-yl)methyl]thiophene-2-sulfonamide

C11H18ClN3O2S2 — CID 75467486

IUPAC5-chloro-N-[(1,4-dimethylpiperazin-2-yl)methyl]thiophene-2-sulfonamide
SMILESCN1CCN(C)C(CNS(=O)(=O)c2ccc(Cl)s2)C1
InChIInChI=1S/C11H18ClN3O2S2/c1-14-5-6-15(2)9(8-14)7-13-19(16,17)11-4-3-10(12)18-11/h3-4,9,13H,5-8H2,1-2H3
InChIKeyDOPVMDNHIJQCKE-UHFFFAOYSA-N
MW323.87 g/mol
LogP0.93
Rot. Bonds4

About 5-chloro-N-[(1,4-dimethylpiperazin-2-yl)methyl]thiophene-2-sulfonamide

5-chloro-N-[(1,4-dimethylpiperazin-2-yl)methyl]thiophene-2-sulfonamide (PubChem CID 75467486) has the molecular formula C11H18ClN3O2S2 and a molecular weight of 323.87 g/mol. Its IUPAC name is 5-chloro-N-[(1,4-dimethylpiperazin-2-yl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[(1,4-dimethylpiperazin-2-yl)methyl]thiophene-2-sulfonamide
PubChem CID75467486
Molecular FormulaC11H18ClN3O2S2
Molecular Weight323.87 g/mol
Exact Mass323.05
IUPAC Name5-chloro-N-[(1,4-dimethylpiperazin-2-yl)methyl]thiophene-2-sulfonamide
SMILESCN1CCN(C)C(CNS(=O)(=O)c2ccc(Cl)s2)C1
InChIInChI=1S/C11H18ClN3O2S2/c1-14-5-6-15(2)9(8-14)7-13-19(16,17)11-4-3-10(12)18-11/h3-4,9,13H,5-8H2,1-2H3
InChIKeyDOPVMDNHIJQCKE-UHFFFAOYSA-N
XLogP0.93
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.87
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(2R)-1,4-dimethylpiperazin-2-yl]methyl]-4-methylthiophene-2-sulfonamide
CID 164634958
2-tert-butyl-N-[(1,4-dimethylpiperazin-2-yl)methyl]benzenesulfonamide
CID 71997588
5-chloro-N-(cyclohexylmethyl)thiophene-2-sulfonamide
CID 6470902
5-chloro-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide
CID 110397622
2-amino-4-bromo-N-[(1,4-dimethylpiperazin-2-yl)methyl]benzenesulfonamide
CID 63896855
4-chloro-3-[(1,4-dimethylpiperazin-2-yl)methylsulfamoyl]-5-methylbenzoic acid
CID 167940802
5-chloro-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]thiophene-2-sulfonamide
CID 60568052
N-[(3-bromocyclopentyl)methyl]-5-chlorothiophene-2-sulfonamide
CID 106135049
5-chloro-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide
CID 22209337
5-(hydroxymethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]thiophene-2-sulfonamide
CID 114137985
5-chloro-N-(3-pyrrol-1-ylpropyl)thiophene-2-sulfonamide
CID 110721121
N-[(2-bromocyclohexyl)methyl]-5-chlorothiophene-2-sulfonamide
CID 113271784

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1,4-dimethylpiperazin-2-yl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[(1,4-dimethylpiperazin-2-yl)methyl]thiophene-2-sulfonamide (CID 75467486) is 5-chloro-N-[(1,4-dimethylpiperazin-2-yl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[(1,4-dimethylpiperazin-2-yl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[(1,4-dimethylpiperazin-2-yl)methyl]thiophene-2-sulfonamide is CN1CCN(C)C(CNS(=O)(=O)c2ccc(Cl)s2)C1.
What is the InChIKey of 5-chloro-N-[(1,4-dimethylpiperazin-2-yl)methyl]thiophene-2-sulfonamide?
The InChIKey is DOPVMDNHIJQCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O2S2/c1-14-5-6-15(2)9(8-14)7-13-19(16,17)11-4-3-10(12)18-11/h3-4,9,13H,5-8H2,1-2H3.
What are the key properties of 5-chloro-N-[(1,4-dimethylpiperazin-2-yl)methyl]thiophene-2-sulfonamide?
5-chloro-N-[(1,4-dimethylpiperazin-2-yl)methyl]thiophene-2-sulfonamide has a molecular weight of 323.87 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1,4-dimethylpiperazin-2-yl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 75467486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).